SCHEMBL6096129

SCHEMBL6096129

COC(=O)c1cc(Cc2c(C)c(OC)c(OC)c(OC)c2OC)ccc1OCc1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.40
MAPT P10636 5/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
RAB9A P51151 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
MBOAT4 Q96T53 1/20 0.39
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6095724 0.91 FOLH1 (0.46) MAPTALDH1A1SMN1; SMN2HTTNPSR1
SCHEMBL5859909 0.89 FOLH1 (0.46) MAPTALDH1A1SMN1; SMN2HTTRAB9A
SCHEMBL6097409 0.88 LRRK2 (0.45) ALDH1A1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL6097694 0.84 SCN9A (0.45) MAPTALDH1A1SMN1; SMN2RAB9AMEN1
SCHEMBL6097805 0.82 HPGD (0.43) MAPTALDH1A1SMN1; SMN2HTTNPSR1
SCHEMBL5859356 0.82 CYP46A1 (0.57) MAPTALDH1A1SMN1; SMN2HTTNPSR1
SCHEMBL27581191 0.81 MAPT (0.47) MAPTALDH1A1SMN1; SMN2HTTNPSR1
SCHEMBL5859832 0.81 FFAR4 (0.47) MAPTALDH1A1SMN1; SMN2HTTRAB9A
SCHEMBL5860287 0.81 FOLH1 (0.57) MAPTALDH1A1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL6096061 0.79 SYK (0.47) LMNAHSD17B10LRRK2PPARGPPARD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7064124-B2 NF-κB inhibitor containing substituted benzoic acid derivative as active ingredient DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2006-06-20 US claimed
US-7064124-B2 NF-κB inhibitor containing substituted benzoic acid derivative as active ingredient DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2006-06-20 US disclosed
US-20040122244-A1 Nf-kappa b inhibitor containing substituted benzoic acid derivative as active ingredient DAIICHI ASUBIO PHARMA CO., LTD. (JP) 2004-06-24 US disclosed
EP-1314712-A1 NF-KAPPA-B INHIBITOR CONTAINING SUBSTITUTED BENZOIC ACID DERIVATIVE AS ACTIVE INGREDIENT Daiichi Suntory Pharma Co., Ltd. (JP) 2003-05-28 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040122244-A1 Nf-kappa b inhibitor containing substituted benzoic acid derivative as active ingredient NFKBIA, NFKB1, IKBKB PLK1 1669/4885MAPT 2457/4885ALDH1A1 1508/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.